3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide

C27H32N2O3S — CID 43906454

IUPAC3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(C(C)NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1C
InChIInChI=1S/C27H32N2O3S/c1-19-16-21(3)26(17-20(19)2)22(4)29-27(30)15-12-23-10-13-25(14-11-23)33(31,32)28-18-24-8-6-5-7-9-24/h5-11,13-14,16-17,22,28H,12,15,18H2,1-4H3,(H,29,30)
InChIKeyXQEZCDFFNNLEEE-UHFFFAOYSA-N
MW464.63 g/mol
LogP4.90
Rot. Bonds9

About 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide

3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide (PubChem CID 43906454) has the molecular formula C27H32N2O3S and a molecular weight of 464.63 g/mol. Its IUPAC name is 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
PubChem CID43906454
Molecular FormulaC27H32N2O3S
Molecular Weight464.63 g/mol
Exact Mass464.21
IUPAC Name3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide
SMILESCc1cc(C)c(C(C)NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1C
InChIInChI=1S/C27H32N2O3S/c1-19-16-21(3)26(17-20(19)2)22(4)29-27(30)15-12-23-10-13-25(14-11-23)33(31,32)28-18-24-8-6-5-7-9-24/h5-11,13-14,16-17,22,28H,12,15,18H2,1-4H3,(H,29,30)
InChIKeyXQEZCDFFNNLEEE-UHFFFAOYSA-N
XLogP4.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.63
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(tert-butylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402364
3-[4-(methylsulfamoyl)phenyl]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402388
2-[4-(benzylsulfamoyl)phenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401789
3-[4-(propan-2-ylsulfamoyl)phenyl]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402312
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402102
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(4-bromophenyl)ethyl]propanamide
CID 43873845
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(4-chlorophenyl)ethyl]propanamide
CID 28556974
3-[4-(benzylsulfamoyl)phenyl]-N-[(1S)-1-(3-bromophenyl)ethyl]propanamide
CID 28557015
N-[1-(2-methoxyphenyl)ethyl]-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 43873798
N-(1-phenylethyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 4166860
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]propanamide
CID 30402422

Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The IUPAC name of 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide (CID 43906454) is 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide is Cc1cc(C)c(C(C)NC(=O)CCc2ccc(S(=O)(=O)NCc3ccccc3)cc2)cc1C.
What is the InChIKey of 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide?
The InChIKey is XQEZCDFFNNLEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3S/c1-19-16-21(3)26(17-20(19)2)22(4)29-27(30)15-12-23-10-13-25(14-11-23)33(31,32)28-18-24-8-6-5-7-9-24/h5-11,13-14,16-17,22,28H,12,15,18H2,1-4H3,(H,29,30).
What are the key properties of 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide?
3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide has a molecular weight of 464.63 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzylsulfamoyl)phenyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]propanamide is sourced from PubChem (CID 43906454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).